CATD - BACSU - GREMLIN Contacts

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CATD - Putative oxidoreductase CatD

UniProt:	P54720	Sequences: MNKSFEIGTLLLRVITGIIFFVHGLSKFQGMEGTIQFFGSIGLPSFMAYVIAAIELIGGVLVFFGLATRIVGVLFALTLIGAIITVKLKAPFMGNAEFDYLLLLTSIHLALTGSRFLALDPFVFKGKKNGNVSA	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	134 (120)
Sequences:	3443 (2475)
Seq/√Len:	225.9

ECOLI - YQJF
BACSU - CATD MHQP

GREMLIN Results:

Legend: The darker and larger the blue dots, the higher coevolution strength.

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
23_H	97_E	2.582	1.00
76_A	103_L	2.444	1.00
20_F	75_F	2.259	1.00
15_I	104_L	2.149	1.00
12_L	108_H	2.075	1.00
21_F	63_F	1.980	1.00
75_F	106_S	1.979	1.00
16_T	105_T	1.970	1.00
67_A	70_I	1.961	1.00
34_T	38_F	1.961	1.00
17_G	59_G	1.916	1.00
17_G	63_F	1.888	1.00
118_A	121_P	1.868	1.00
25_L	56_L	1.843	1.00
108_H	112_T	1.773	1.00
87_K	99_D	1.757	1.00
66_L	120_D	1.735	1.00
61_L	71_V	1.721	1.00
79_L	82_A	1.685	1.00
70_I	74_L	1.682	1.00
9_T	112_T	1.681	1.00
31_M	52_A	1.679	1.00
83_I	103_L	1.670	1.00
19_I	102_L	1.652	1.00
68_T	114_S	1.631	1.00
96_A	100_Y	1.627	1.00
25_L	29_Q	1.619	1.00
58_G	71_V	1.611	1.00
98_F	102_L	1.556	1.00
37_F	41_I	1.538	1.00
49_Y	53_A	1.517	1.00
12_L	105_T	1.502	1.00
19_I	92_F	1.499	1.00
72_G	106_S	1.470	1.00
37_F	40_S	1.462	1.00
10_L	117_L	1.452	1.00
57_I	61_L	1.447	1.00
51_I	78_T	1.446	1.00
60_V	64_F	1.423	1.00
10_L	14_V	1.413	1.00
58_G	75_F	1.410	1.00
31_M	49_Y	1.383	1.00
6_E	116_F	1.375	1.00
21_F	60_V	1.362	1.00
62_V	75_F	1.361	1.00
54_I	71_V	1.301	1.00
53_A	57_I	1.283	1.00
101_L	105_T	1.258	1.00
21_F	59_G	1.242	1.00
84_I	88_L	1.242	1.00
10_L	116_F	1.240	1.00
19_I	101_L	1.238	1.00
109_L	112_T	1.208	1.00
28_F	52_A	1.203	1.00
54_I	78_T	1.199	1.00
72_G	76_A	1.182	1.00
8_G	111_L	1.174	1.00
27_K	55_E	1.167	1.00
50_V	54_I	1.146	1.00
36_Q	39_G	1.112	1.00
22_V	93_M	1.102	1.00
21_F	25_L	1.084	1.00
8_G	112_T	1.081	1.00
77_L	81_G	1.080	1.00
39_G	45_S	1.077	1.00
9_T	108_H	1.067	1.00
73_V	110_A	1.056	1.00
114_S	118_A	1.053	1.00
62_V	109_L	1.048	1.00
76_A	110_A	1.035	1.00
114_S	120_D	1.019	1.00
46_F	49_Y	1.009	1.00
54_I	74_L	1.004	1.00
87_K	90_A	0.941	1.00
15_I	19_I	0.936	1.00
61_L	66_L	0.918	1.00
66_L	119_L	0.909	0.99
55_E	78_T	0.895	0.99
31_M	35_I	0.885	0.99
7_I	117_L	0.884	0.99
71_V	74_L	0.884	0.99
68_T	109_L	0.870	0.99
83_I	88_L	0.862	0.99
71_V	75_F	0.857	0.99
80_I	84_I	0.848	0.99
33_G	37_F	0.847	0.99
97_E	100_Y	0.847	0.99
19_I	22_V	0.841	0.99
83_I	99_D	0.833	0.99
52_A	59_G	0.825	0.99
119_L	124_F	0.820	0.99
107_I	111_L	0.818	0.99
64_F	119_L	0.814	0.99
14_V	63_F	0.811	0.99
98_F	101_L	0.807	0.99
21_F	56_L	0.796	0.99
35_I	48_A	0.786	0.98
83_I	100_Y	0.782	0.98
43_L	47_M	0.769	0.98
32_E	35_I	0.764	0.98
24_G	59_G	0.763	0.98
69_R	110_A	0.759	0.98
103_L	106_S	0.734	0.98
26_S	30_G	0.730	0.98
51_I	81_G	0.727	0.97
119_L	123_V	0.726	0.97
62_V	106_S	0.716	0.97
54_I	58_G	0.714	0.97
8_G	108_H	0.713	0.97
34_T	37_F	0.711	0.97
8_G	12_L	0.696	0.97
29_Q	32_E	0.696	0.97
96_A	99_D	0.692	0.97
38_F	41_I	0.689	0.96
99_D	103_L	0.689	0.96
23_H	95_N	0.681	0.96
35_I	39_G	0.674	0.96
48_A	52_A	0.671	0.96
79_L	102_L	0.671	0.96
16_T	106_S	0.668	0.96
100_Y	103_L	0.668	0.96
34_T	48_A	0.661	0.96
47_M	51_I	0.660	0.96
18_I	63_F	0.638	0.95
68_T	120_D	0.636	0.95
56_L	60_V	0.630	0.94
73_V	77_L	0.624	0.94
31_M	48_A	0.623	0.94
56_L	59_G	0.623	0.94
78_T	81_G	0.622	0.94
81_G	85_T	0.616	0.94
78_T	82_A	0.616	0.94
32_E	36_Q	0.609	0.93
62_V	68_T	0.607	0.93
28_F	56_L	0.607	0.93
72_G	110_A	0.607	0.93
51_I	54_I	0.598	0.93
98_F	105_T	0.597	0.93
26_S	29_Q	0.597	0.93
19_I	98_F	0.594	0.92
100_Y	104_L	0.592	0.92
6_E	9_T	0.591	0.92
37_F	94_G	0.588	0.92
30_G	33_G	0.585	0.92
14_V	18_I	0.585	0.92
121_P	124_F	0.584	0.92
24_G	57_I	0.580	0.91
74_L	77_L	0.571	0.91
69_R	77_L	0.569	0.91
25_L	52_A	0.568	0.91
9_T	114_S	0.565	0.90
70_I	110_A	0.561	0.90
7_I	116_F	0.555	0.90
44_P	58_G	0.555	0.90
35_I	45_S	0.555	0.90
76_A	107_I	0.554	0.89
31_M	34_T	0.552	0.89
79_L	99_D	0.551	0.89
102_L	106_S	0.548	0.89
22_V	59_G	0.544	0.89
52_A	56_L	0.541	0.88
16_T	102_L	0.539	0.88
75_F	78_T	0.534	0.88
5_F	9_T	0.533	0.88
95_N	98_F	0.527	0.87
64_F	67_A	0.521	0.86
80_I	103_L	0.521	0.86
72_G	109_L	0.517	0.86
10_L	109_L	0.515	0.86
40_S	43_L	0.514	0.86
31_M	45_S	0.511	0.85
49_Y	52_A	0.511	0.85
90_A	95_N	0.509	0.85
15_I	101_L	0.509	0.85
6_E	117_L	0.506	0.85
24_G	56_L	0.506	0.85
91_P	97_E	0.505	0.85
116_F	121_P	0.503	0.84
36_Q	40_S	0.501	0.84
41_I	85_T	0.500	0.84

Legend: The i and j are positions as given in the UniProt sequence. Only predictions with Prob ≥ 0.7 are listed. For all 3L/2 predictions, click on one of the links below.

Sco = ((raw_sco - min_sco)/(avg_sco - min_sco))/2 + 0.5
Prob = P(contact | Sco, seq80/√len)
seq80 = effective number of sequences, after reducing redundancy to 80% identity

Text file of predictions (all 3L/2 predictions)
Generate restraints for ROSETTA Structure Modeling
Upload PDB model overlay contacts on the model

HHsearch Results:

Legend: GREMLIN results (Prob ≥ 0.7) overlaid on top PDB hits. The grey/red filled circles underneath are pdb residue contacts (min distance < 5 Angstroms). The shade of the circles is based on the top 10 (or top 20 if e-value < 1E-20) HHsearch results which uses the overall probability and per-site alignment prob. Inter oligomeric contacts in the pdb are in shades of red.

PDB	Chains	Cov	%	HHΔ
1rgxA	5	0.1716	10	0.931	Contact Map
4htmA	1	0.1493	4.2	0.942	Contact Map
2l16A	1	0.3209	2.4	0.949	Contact Map
2lzrA	1	0.3134	2.4	0.949	Contact Map
2mi2A	1	0.3134	2.2	0.95	Contact Map
2mn6B	2	0.2985	1.9	0.952	Contact Map
4c5cA	2	0.2239	1.6	0.954	Contact Map
3ogkQ	1	0.097	1.5	0.955	Contact Map
2i71A	2	0.2537	1.4	0.955	Contact Map
3ld9A	3	0.2537	1.4	0.955	Contact Map

Sequence Conservation (Image Generated using WebLogo v3)

Legend: Color is used to show Hydrophobicity (Blue: Hydrophilic, Green: Neutral and Black: Hydrophobic). Amount of gaps is represented by width.

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